3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride

C13H22Cl2N2O2 — CID 24881322

IUPAC3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)n1C.Cl.Cl
InChIInChI=1S/C13H20N2O2.2ClH/c1-10-8-12(16)13(17)11(14(10)2)9-15-6-4-3-5-7-15;;/h8,17H,3-7,9H2,1-2H3;2*1H
InChIKeyCFCCRSPHNPJSIL-UHFFFAOYSA-N
MW309.24 g/mol
LogP2.23
Rot. Bonds2

About 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride

3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride (PubChem CID 24881322) has the molecular formula C13H22Cl2N2O2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
PubChem CID24881322
Molecular FormulaC13H22Cl2N2O2
Molecular Weight309.24 g/mol
Exact Mass308.11
IUPAC Name3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)n1C.Cl.Cl
InChIInChI=1S/C13H20N2O2.2ClH/c1-10-8-12(16)13(17)11(14(10)2)9-15-6-4-3-5-7-15;;/h8,17H,3-7,9H2,1-2H3;2*1H
InChIKeyCFCCRSPHNPJSIL-UHFFFAOYSA-N
XLogP2.23
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride (CID 24881322) is 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride is Cc1cc(=O)c(O)c(CN2CCCCC2)n1C.Cl.Cl.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The InChIKey is CFCCRSPHNPJSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.2ClH/c1-10-8-12(16)13(17)11(14(10)2)9-15-6-4-3-5-7-15;;/h8,17H,3-7,9H2,1-2H3;2*1H.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride is sourced from PubChem (CID 24881322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).